2-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]ethanol

C21H25N5O — CID 1158941

IUPAC2-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2nc(NCc3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C21H25N5O/c27-15-14-25-10-12-26(13-11-25)21-23-19-9-5-4-8-18(19)20(24-21)22-16-17-6-2-1-3-7-17/h1-9,27H,10-16H2,(H,22,23,24)
InChIKeyHYNFLQHZQUETAO-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.36
Rot. Bonds6

About 2-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]ethanol

2-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]ethanol (PubChem CID 1158941) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]ethanol
PubChem CID1158941
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name2-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2nc(NCc3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C21H25N5O/c27-15-14-25-10-12-26(13-11-25)21-23-19-9-5-4-8-18(19)20(24-21)22-16-17-6-2-1-3-7-17/h1-9,27H,10-16H2,(H,22,23,24)
InChIKeyHYNFLQHZQUETAO-UHFFFAOYSA-N
XLogP2.36
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]ethanol (CID 1158941) is 2-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]ethanol is OCCN1CCN(c2nc(NCc3ccccc3)c3ccccc3n2)CC1.
What is the InChIKey of 2-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]ethanol?
The InChIKey is HYNFLQHZQUETAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c27-15-14-25-10-12-26(13-11-25)21-23-19-9-5-4-8-18(19)20(24-21)22-16-17-6-2-1-3-7-17/h1-9,27H,10-16H2,(H,22,23,24).
What are the key properties of 2-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]ethanol?
2-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 363.47 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 1158941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).